2-(benzylamino)-2-phenylcyclohexan-1-one

C19H21NO — CID 3028110

IUPAC2-(benzylamino)-2-phenylcyclohexan-1-one
SMILESO=C1CCCCC1(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c21-18-13-7-8-14-19(18,17-11-5-2-6-12-17)20-15-16-9-3-1-4-10-16/h1-6,9-12,20H,7-8,13-15H2
InChIKeyJDPZEDZMCHZWBB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.81
Rot. Bonds4

About 2-(benzylamino)-2-phenylcyclohexan-1-one

2-(benzylamino)-2-phenylcyclohexan-1-one (PubChem CID 3028110) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(benzylamino)-2-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-(benzylamino)-2-phenylcyclohexan-1-one
PubChem CID3028110
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-(benzylamino)-2-phenylcyclohexan-1-one
SMILESO=C1CCCCC1(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H21NO/c21-18-13-7-8-14-19(18,17-11-5-2-6-12-17)20-15-16-9-3-1-4-10-16/h1-6,9-12,20H,7-8,13-15H2
InChIKeyJDPZEDZMCHZWBB-UHFFFAOYSA-N
XLogP3.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-phenylcyclohexan-1-one?
The IUPAC name of 2-(benzylamino)-2-phenylcyclohexan-1-one (CID 3028110) is 2-(benzylamino)-2-phenylcyclohexan-1-one.
What is the SMILES notation for 2-(benzylamino)-2-phenylcyclohexan-1-one?
The canonical SMILES for 2-(benzylamino)-2-phenylcyclohexan-1-one is O=C1CCCCC1(NCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-phenylcyclohexan-1-one?
The InChIKey is JDPZEDZMCHZWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c21-18-13-7-8-14-19(18,17-11-5-2-6-12-17)20-15-16-9-3-1-4-10-16/h1-6,9-12,20H,7-8,13-15H2.
What are the key properties of 2-(benzylamino)-2-phenylcyclohexan-1-one?
2-(benzylamino)-2-phenylcyclohexan-1-one has a molecular weight of 279.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-phenylcyclohexan-1-one is sourced from PubChem (CID 3028110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).